| SpectraBase Spectrum ID |
4Z5j18k6sAu |
| Name |
1,4-Benzenedicarboxylic acid, 2-nitro-5-(propylthio)- |
| Alternate Name(s) |
2-Nitro-5-(propylthio)terephthalic acid
2-Nitro-5-(propylsulfanyl)benzene-1,4-dicarboxylic acid
2-Nitro-5-propylsulfanylterephthalic acid
2-Nitro-5-propylsulfanyl-terephthalic acid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C11H11NO6S |
| InChI |
InChI=1S/C11H11NO6S/c1-2-3-19-9-5-6(10(13)14)8(12(17)18)4-7(9)11(15)16/h4-5H,2-3H2,1H3,(H,13,14)(H,15,16) |
| InChIKey |
VOBACORIBBIPRH-UHFFFAOYSA-N |
| Molecular Weight |
285.270 g/mol |
| SMILES |
OC(c1cc(c(C(O)=O)cc1[N+]([O-])=O)SCCC)=O |
| SPLASH |
splash10-004u-7490000000-1ce2863adf82c2e65cf7 |
| Source of Spectrum |
JX-2015-2-1095 |
| Wiley ID |
1722770 |
